VERICIGUAT HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H16F2N8O2.ClH
Molecular Weight	462.84
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC(=O)NC1=C(N)N=C(N=C1N)C2=NN(CC3=CC=CC=C3F)C4=NC=C(F)C=C24

InChI

InChIKey=MEOLGPNZHXRKRG-UHFFFAOYSA-N

InChI=1S/C19H16F2N8O2.ClH/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21;/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27);1H

HIDE SMILES / InChI

Molecular Formula	C19H16F2N8O2
Molecular Weight	426.3795
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28557445 | http://www.chemdiv.com/pivotal-phase-iii-study-started-vericiguat-patients-chronic-heart-failure/ | http://www.prnewswire.com/news-releases/data-on-vericiguat-investigational-heart-failure-medicine-to-be-presented-as-late-breaking-clinical-trial-at-the-2015-american-heart-association-aha-scientific-sessions-300174024.html

Vericiguat, discovered at Bayer, is the first soluble guanylate cyclase (sGC) stimulator. Vericiguat is currently being studied in a Phase III clinical program for the treatment of heart failure with reduced ejection fraction (HFrEF).

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Soluble guanylate cyclase 34 Target ID: CHEMBL2111348 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28557445	Activator 1430		1005.0 nM [EC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Heart Failure 7 Sources: https://clinicaltrials.gov/ct2/show/NCT02861534	Primary		Phase III 656	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Starting dose of 2.5 mg taken orally once daily with food, on a background of standard of care. Dose will be uptitrated to 5 mg and to 10 mg.

Route of Administration: Oral

In Vitro Use Guide

Studies on the in vitro effects of Vericiguat on highly purified sGC (soluble guanylate cyclase) revealed that Vericiguat (0.01 uM to 100 uM) stimulates recombinant sGC concentration dependently, by 1.7-fold to 57.6-fold.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:00:34 GMT 2023` Edited by `admin` on `Sat Dec 16 08:00:34 GMT 2023`
Record UNII	5G76IGF54K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERICIGUAT HYDROCHLORIDE

Common Name

English

METHYL (4,6-DIAMINO-2-(5-FLUORO-1-(2-FLUOROBENZYL)-1H-PYRAZOLO(3,4-B)PYRIDIN-3-YL)PYRIMIDIN-5-YL)CARBAMATE HYDROCHLORIDE

Systematic Name

English

Vericiguat hydrochloride [WHO-DD]

Common Name

English

CARBAMIC ACID, N-(4,6-DIAMINO-2-(5-FLUORO-1-((2-FLUOROPHENYL)METHYL)-1H-PYRAZOLO(3,4-B)PYRIDIN-3-YL)-5-PYRIMIDINYL)-, METHYL ESTER, HYDROCHLORIDE (1:1)

Common Name

English

Code System Code Type Description

FDA UNII

5G76IGF54K